SCHEMBL10049665

SCHEMBL10049665

OC(COc1ccc(C2(c3ccc(OCC(O)COc4cccc5cc(OCC6CO6)ccc45)cc3)c3ccccc3-c3ccccc32)cc1)COc1ccc2c(OCC3CO3)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.39
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 5/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDK1 Q15118 1/20 0.36
NR2E1 Q9Y466 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD4 P21917 3/20 0.34
DRD2 P14416 1/20 0.34
GLA P06280 1/20 0.34
ADRB2 P07550 4/20 0.34
ADRB1 P08588 4/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10049666 0.87 TDP1 (0.41) CYP2D6ALDH1A1SMN1; SMN2TP53TSHR
SCHEMBL10049652 0.86 TDP1 (0.40) ALDH1A1SMN1; SMN2TP53TSHRCYP3A4
SCHEMBL1108679 0.86 TDP1 (0.48) ALDH1A1SMN1; SMN2TP53TSHRCYP3A4
SCHEMBL10049667 0.86 PDK1 (0.32) ALDH1A1SMN1; SMN2TP53TSHRCYP3A4
SCHEMBL16489898 0.85 CYP2D6 (0.48) CYP2D6ALDH1A1SMN1; SMN2TP53TSHR
SCHEMBL10049661 0.83 CYP2D6 (0.47) CYP2D6ALDH1A1SMN1; SMN2TP53TSHR
SCHEMBL29592491 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TP53TSHRCYP3A4
SCHEMBL20560378 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TP53TSHRCYP3A4
SCHEMBL16489886 0.82 CYP2D6 (0.46) CYP2D6ALDH1A1SMN1; SMN2TP53TSHR
SCHEMBL10074503 0.82 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2TP53TSHRCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041102-A1 NOVEL EPOXY RESIN AND EPOXY RESIN COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2012-02-16 US disclosed
US-20120041102-A1 NOVEL EPOXY RESIN AND EPOXY RESIN COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2012-02-16 US disclosed